2-[2,6-dimethyl-4-(methylaminomethyl)phenoxy]-N-(2-methylpropyl)propanamide

C17H28N2O2 — CID 43276640

IUPAC2-[2,6-dimethyl-4-(methylaminomethyl)phenoxy]-N-(2-methylpropyl)propanamide
SMILESCNCc1cc(C)c(OC(C)C(=O)NCC(C)C)c(C)c1
InChIInChI=1S/C17H28N2O2/c1-11(2)9-19-17(20)14(5)21-16-12(3)7-15(10-18-6)8-13(16)4/h7-8,11,14,18H,9-10H2,1-6H3,(H,19,20)
InChIKeyNSIBYHKGIKQKKR-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.56
Rot. Bonds7

About 2-[2,6-dimethyl-4-(methylaminomethyl)phenoxy]-N-(2-methylpropyl)propanamide

2-[2,6-dimethyl-4-(methylaminomethyl)phenoxy]-N-(2-methylpropyl)propanamide (PubChem CID 43276640) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-[2,6-dimethyl-4-(methylaminomethyl)phenoxy]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-[2,6-dimethyl-4-(methylaminomethyl)phenoxy]-N-(2-methylpropyl)propanamide
PubChem CID43276640
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-[2,6-dimethyl-4-(methylaminomethyl)phenoxy]-N-(2-methylpropyl)propanamide
SMILESCNCc1cc(C)c(OC(C)C(=O)NCC(C)C)c(C)c1
InChIInChI=1S/C17H28N2O2/c1-11(2)9-19-17(20)14(5)21-16-12(3)7-15(10-18-6)8-13(16)4/h7-8,11,14,18H,9-10H2,1-6H3,(H,19,20)
InChIKeyNSIBYHKGIKQKKR-UHFFFAOYSA-N
XLogP2.56
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(ethylaminomethyl)-2,6-dimethylphenoxy]-N-propylpropanamide
CID 43276703
2-[2,6-dimethyl-4-[(2-methylpropylamino)methyl]phenoxy]propanoic acid
CID 63061683
2-[4-(aminomethyl)-2,6-dimethylphenoxy]-N-ethylpropanamide
CID 43122441
2-[2,6-dimethyl-4-(methylaminomethyl)phenoxy]-N-(3-methylbutyl)acetamide
CID 61486806
2-[2-(methylaminomethyl)phenoxy]-N-(2-methylpropyl)propanamide
CID 43277159
2-(4-bromo-2,6-dimethylphenoxy)-N-[2-[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]ethyl]propanamide
CID 4961209
(2S)-2-(3,5-dimethylphenoxy)-N-(2-methylpropyl)propanamide
CID 9181944
2-[4-(aminomethyl)-2,6-dimethylphenoxy]-N-prop-2-ynylpropanamide
CID 60879224
2-[2-(aminomethyl)-6-methylphenoxy]-N-(2-methylpropyl)propanamide
CID 112607249
2-[5-methoxy-2-(methylaminomethyl)phenoxy]-N-(2-methylpropyl)propanamide
CID 61270005
2-[2,6-dibromo-4-(methylaminomethyl)phenoxy]-N-propan-2-ylpropanamide
CID 107741750
2-[4-(aminomethyl)-2,6-dimethylphenoxy]-N-pentylpropanamide
CID 43122445

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-dimethyl-4-(methylaminomethyl)phenoxy]-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-[2,6-dimethyl-4-(methylaminomethyl)phenoxy]-N-(2-methylpropyl)propanamide (CID 43276640) is 2-[2,6-dimethyl-4-(methylaminomethyl)phenoxy]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-[2,6-dimethyl-4-(methylaminomethyl)phenoxy]-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-[2,6-dimethyl-4-(methylaminomethyl)phenoxy]-N-(2-methylpropyl)propanamide is CNCc1cc(C)c(OC(C)C(=O)NCC(C)C)c(C)c1.
What is the InChIKey of 2-[2,6-dimethyl-4-(methylaminomethyl)phenoxy]-N-(2-methylpropyl)propanamide?
The InChIKey is NSIBYHKGIKQKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-11(2)9-19-17(20)14(5)21-16-12(3)7-15(10-18-6)8-13(16)4/h7-8,11,14,18H,9-10H2,1-6H3,(H,19,20).
What are the key properties of 2-[2,6-dimethyl-4-(methylaminomethyl)phenoxy]-N-(2-methylpropyl)propanamide?
2-[2,6-dimethyl-4-(methylaminomethyl)phenoxy]-N-(2-methylpropyl)propanamide has a molecular weight of 292.42 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-dimethyl-4-(methylaminomethyl)phenoxy]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 43276640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).